Institut de Robòtica i Informàtica Industrial

Detailed Description

A tool to generate bio-info files (e.g. pdb) for a particular configuration. It basically reads a bio-info file, replaces the atom positions by the ones computed form the given sample, and generates a new bio-info file. This output can be latter used in any software for molecular analysis.

Note that we usually work with pdb files but that any other file format accepted by OpenBabel can be used.

Functions

Function Documentation

A tool to generate bio-info files (e.g. pdb) for a particular configuration. It basically reads a bio-info file, replaces the atom positions by the ones computed form the given sample, and generates a new bio-info file. This output can be latter used in any software for molecular analysis.

Use:

cuiksample2pdbproblem_name

where

problem_name is used to generate the param, bio-info, and sample files.

The extension are optional, except of the out_name parameter, if provided.

Parameters

argc

Number of elements in the command line that starts the application (i.e., the cuiksample2pdb command itself and its arguments).

arg

Strings with the arguments.

Returns

EXIT_SUCCESS (0) if the execution worked out fine and EXIT_FAILURE if not.